core.init: Rosetta version exported  from http://www.rosettacommons.org
core.init: command: /dors/meilerlab/apps/rosetta/rosetta_2016.08.58479/main/source/bin/relax.default.linuxgccrelease @relax.options -s 3UBQ_Ab_renum.pdb -out:suffix _0005
core.init: 'RNG device' seed mode, using '/dev/urandom', seed=-777261698 seed_offset=0 real_seed=-777261698
core.init.random: RandomGenerator:init: Normal mode, seed=-777261698 RG_type=mt19937
core.init: Resolved executable path: /dors/meilerlab/apps/rosetta/rosetta_2016.08.58479/main/source/build/src/release/linux/2.6/64/x86/gcc/5.2/default/relax.default.linuxgccrelease
core.init: Looking for database based on location of executable: /dors/meilerlab/apps/rosetta/rosetta_2016.08.58479/main/database/
core.scoring.ScoreFunctionFactory: SCOREFUNCTION: talaris2014
core.scoring.etable: Starting energy table calculation
core.scoring.etable: smooth_etable: changing atr/rep split to bottom of energy well
core.scoring.etable: smooth_etable: spline smoothing lj etables (maxdis = 6)
core.scoring.etable: smooth_etable: spline smoothing solvation etables (max_dis = 6)
core.scoring.etable: Finished calculating energy tables.
basic.io.database: Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBPoly1D.csv
basic.io.database: Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBFadeIntervals.csv
basic.io.database: Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBEval.csv
basic.io.database: Database file opened: scoring/score_functions/rama/Rama_smooth_dyn.dat_ss_6.4
basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA
basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_n
basic.io.database: Database file opened: scoring/score_functions/P_AA_pp/P_AA_pp
protocols.relax.FastRelax: ================== Using default script ==================
protocols.jd2.PDBJobInputter: Instantiate PDBJobInputter
protocols.jd2.PDBJobInputter: PDBJobInputter::fill_jobs
protocols.jd2.PDBJobInputter: pushed 3UBQ_Ab_renum.pdb nstruct index 1
protocols.evaluation.ChiWellRmsdEvaluatorCreator: Evaluation Creator active ... 
protocols.jd2.PDBJobInputter: PDBJobInputter::pose_from_job
protocols.jd2.PDBJobInputter: filling pose from PDB 3UBQ_Ab_renum.pdb
core.chemical.ResidueTypeSet: Finished initializing fa_standard residue type set.  Created 384 residue types
core.chemical.ResidueTypeSet: Total time to initialize 0.51 seconds.
core.conformation.Conformation: [ WARNING ] missing heavyatom:  OXT on residue SER:CtermProteinFull 126
core.conformation.Conformation: [ WARNING ] missing heavyatom:  OXT on residue LEU:CtermProteinFull 224
core.conformation.Conformation: [ WARNING ] missing heavyatom:  OXT on residue ASN:CtermProteinFull 437
core.conformation.Conformation: Found disulfide between residues 22 96
core.conformation.Conformation: current variant for 22 CYS
core.conformation.Conformation: current variant for 96 CYS
core.conformation.Conformation: current variant for 22 CYD
core.conformation.Conformation: current variant for 96 CYD
core.conformation.Conformation: Found disulfide between residues 148 203
core.conformation.Conformation: current variant for 148 CYS
core.conformation.Conformation: current variant for 203 CYS
core.conformation.Conformation: current variant for 148 CYD
core.conformation.Conformation: current variant for 203 CYD
core.conformation.Conformation: Found disulfide between residues 232 244
core.conformation.Conformation: current variant for 232 CYS
core.conformation.Conformation: current variant for 244 CYS
core.conformation.Conformation: current variant for 232 CYD
core.conformation.Conformation: current variant for 244 CYD
core.conformation.Conformation: Found disulfide between residues 267 313
core.conformation.Conformation: current variant for 267 CYS
core.conformation.Conformation: current variant for 313 CYS
core.conformation.Conformation: current variant for 267 CYD
core.conformation.Conformation: current variant for 313 CYD
core.pack.dunbrack.RotamerLibrary: Using Dunbrack library binary file '/dors/meilerlab/apps/rosetta/rosetta_2016.08.58479/main/database/rotamer/ExtendedOpt1-5/Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.28 seconds to load from binary
protocols.relax.FastRelax: CMD: repeat  2801.08  0  0  0.55
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 7406 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14860635 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -1011.29  0.126657  0.126657  0.011
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6641 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14713948 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -900.955  0.16184  0.16184  0.1375
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6348 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14199467 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -916.249  1.02345  1.02345  0.3025
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6110 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14212940 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -807.615  1.04598  1.04598  0.55
protocols.relax.FastRelax: MRP: 0  -807.615  -807.615  1.04598  1.04598  
protocols.relax.FastRelax: CMD: accept_to_best  -807.615  1.04598  1.04598  0.55
protocols.relax.FastRelax: CMD: endrepeat  -807.615  1.04598  1.04598  0.55
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 7175 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14753495 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -1015.36  0.142048  0.142048  0.011
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6584 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14717703 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -915.34  0.170034  0.170034  0.1375
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6376 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14213919 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -894.143  0.472997  0.472997  0.3025
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6158 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14131554 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -832.557  0.720686  0.720686  0.55
protocols.relax.FastRelax: MRP: 1  -832.557  -832.557  0.720686  0.720686  
protocols.relax.FastRelax: CMD: accept_to_best  -832.557  0.720686  0.720686  0.55
protocols.relax.FastRelax: CMD: endrepeat  -832.557  0.720686  0.720686  0.55
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 7189 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14770745 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -1004.1  0.151475  0.151475  0.011
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6658 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14734222 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -912.048  0.173923  0.173923  0.1375
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6439 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14247627 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -937.182  0.913589  0.913589  0.3025
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6144 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14254603 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -843.099  0.82767  0.82767  0.55
protocols.relax.FastRelax: MRP: 2  -843.099  -843.099  0.82767  0.82767  
protocols.relax.FastRelax: CMD: accept_to_best  -843.099  0.82767  0.82767  0.55
protocols.relax.FastRelax: CMD: endrepeat  -843.099  0.82767  0.82767  0.55
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 7198 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14783606 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -1000.52  0.147078  0.147078  0.011
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6699 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14756901 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -915.021  0.174535  0.174535  0.1375
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6394 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14232811 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -944.086  0.885607  0.885607  0.3025
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6190 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14263652 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -828.861  0.787164  0.787164  0.55
protocols.relax.FastRelax: MRP: 3  -828.861  -843.099  0.82767  0.82767  
protocols.relax.FastRelax: CMD: accept_to_best  -828.861  0.787164  0.787164  0.55
protocols.relax.FastRelax: CMD: endrepeat  -828.861  0.787164  0.787164  0.55
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 7198 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14798849 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -1014.79  0.146238  0.146238  0.011
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6676 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14755516 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -918.657  0.176501  0.176501  0.1375
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6412 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14238826 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -945.342  0.828579  0.828579  0.3025
core.pack.task: Packer task: initialize from command line() 
core.pack.pack_rotamers: built 6150 rotamers at 438 positions.
core.pack.interaction_graph.interaction_graph_factory: Instantiating LinearMemoryInteractionGraph
core.pack.interaction_graph.interaction_graph_factory: IG: 14228987 bytes
protocols.relax.FastRelax: CMD: ramp_repack_min  -841.429  0.801688  0.801688  0.55
protocols.relax.FastRelax: MRP: 4  -841.429  -843.099  0.82767  0.82767  
protocols.relax.FastRelax: CMD: accept_to_best  -841.429  0.801688  0.801688  0.55
protocols.relax.FastRelax: CMD: endrepeat  -841.429  0.801688  0.801688  0.55
protocols::checkpoint: Deleting checkpoints of FastRelax
protocols.jd2.JobDistributor: 3UBQ_Ab_renum_0005_0001 reported success in 2525 seconds
protocols.jd2.JobDistributor: no more batches to process... 
protocols.jd2.JobDistributor: 1 jobs considered, 1 jobs attempted in 2525 seconds
protocols::checkpoint: Deleting checkpoints of FastRelax
nts of FastRelax
x
elax
